SCHEMBL9505318

SCHEMBL9505318

Nc1c(C(=O)OC2CCC3CC(F)CCC3C2)cc(Sc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GRK6 P43250 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S100A4 P26447 1/20 0.31
RHEB Q15382 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9505322 1.00 ADORA2A (0.40) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9504289 0.92 ADORA2A (0.41) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9504296 0.92 ADORA2A (0.41) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9502321 0.89 ADORA2A (0.39) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9502326 0.89 ADORA2A (0.39) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9501690 0.89 ADORA2A (0.38) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9501694 0.89 ADORA2A (0.38) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9503001 0.88 ADORA2A (0.38) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9503006 0.88 ADORA2A (0.38) ADORA2AKDM4EMAPTNPSR1GRK6
SCHEMBL9503088 0.84 ADORA2A (0.41) ADORA2AKDM4EMAPTNPSR1GRK6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed